Bonding, Structure, and Stability of [(Na)_𝑛(Phe)_𝑚]^𝑛+ Clusters: Some Surprising Results from an Experimental and Theoretical Investigation in Gas Phase

Table 1

Relative Gibbs free energy values obtained with proposed cation at the DFT level.

Fragment (m/z)	Coordination environment	ΔΔ𝐺 (kcal/mol)
		240.46
353; [(Na)1(Phe)2]^+1		0.00
		64.27
		0.00
188; [(Na)2(Phe)2]^+2		303.54
		5.65
683; [(Na)1(Phe)4]^+1		16.40
		232.00
		106.30
		0.00